1-thia-7-azaspiro[3.5]nonane

C7H13NS — CID 118209775

IUPAC1-thia-7-azaspiro[3.5]nonane
SMILESC1CC2(CCN1)CCS2
InChIInChI=1S/C7H13NS/c1-4-8-5-2-7(1)3-6-9-7/h8H,1-6H2
InChIKeyXZPLURIXFCLRGW-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.25
Rot. Bonds

About 1-thia-7-azaspiro[3.5]nonane

1-thia-7-azaspiro[3.5]nonane (PubChem CID 118209775) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-thia-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name1-thia-7-azaspiro[3.5]nonane
PubChem CID118209775
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-thia-7-azaspiro[3.5]nonane
SMILESC1CC2(CCN1)CCS2
InChIInChI=1S/C7H13NS/c1-4-8-5-2-7(1)3-6-9-7/h8H,1-6H2
InChIKeyXZPLURIXFCLRGW-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dithia-9-azaspiro[5.5]undecane
CID 134716129
1,4-dithia-8-azaspiro[4.5]decane;hydrochloride
CID 12954121
4-thia-7-azaspiro[2.5]octane
CID 22417199
1-thia-4,8-diazaspiro[4.5]decane
CID 22467178
ethane;1-thia-4,8-diazaspiro[4.5]decane
CID 143985380
6-methyl-1-thia-6-azaspiro[3.3]heptane
CID 90368388
5-thia-2-azaspiro[3.6]decane
CID 118210225
6,10-dithia-2-azaspiro[4.5]decane
CID 45158739
9-azadispiro[2.2.56.23]tridecane;hydrochloride
CID 155487193
4-(difluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306123
4,4-difluoropiperidine;methane
CID 143607085
2-thia-9-azaspiro[5.5]undecane;hydrochloride
CID 122236526

Frequently Asked Questions

What is the IUPAC name of 1-thia-7-azaspiro[3.5]nonane?
The IUPAC name of 1-thia-7-azaspiro[3.5]nonane (CID 118209775) is 1-thia-7-azaspiro[3.5]nonane.
What is the SMILES notation for 1-thia-7-azaspiro[3.5]nonane?
The canonical SMILES for 1-thia-7-azaspiro[3.5]nonane is C1CC2(CCN1)CCS2.
What is the InChIKey of 1-thia-7-azaspiro[3.5]nonane?
The InChIKey is XZPLURIXFCLRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-8-5-2-7(1)3-6-9-7/h8H,1-6H2.
What are the key properties of 1-thia-7-azaspiro[3.5]nonane?
1-thia-7-azaspiro[3.5]nonane has a molecular weight of 143.25 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-7-azaspiro[3.5]nonane is sourced from PubChem (CID 118209775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).